methyl 2-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)C

InChI

InChI=1S/C20H25N3O4S2/c1-11-12(2)21-20(23-17(11)25)28-10-15(24)22-18-16(19(26)27-3)13-8-6-4-5-7-9-14(13)29-18/h4-10H2,1-3H3,(H,22,24)(H,21,23,25)