methyl 2-[2-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C25H29ClN4O4S2 MolecularWeight: 549.10516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)OC

InChI

InChI=1S/C25H29ClN4O4S2/c1-15-12-16(26)10-11-18(15)34-13-20-28-29-25(30(20)2)35-14-21(31)27-23-22(24(32)33-3)17-8-6-4-5-7-9-19(17)36-23/h10-12H,4-9,13-14H2,1-3H3,(H,27,31)