methyl 2-[2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H24ClN5O3S2 MolecularWeight: 506.04066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4Cl)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C22H24ClN5O3S2/c1-12-7-8-14-16(9-12)33-19(18(14)20(30)31-2)25-17(29)10-28-21(24)26-27-22(28)32-11-13-5-3-4-6-15(13)23/h3-6,12H,7-11H2,1-2H3,(H2,24,26)(H,25,29)