methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-[3-[(2-methoxycarbonyl-3-thienyl)amino]-3-oxo-propyl]sulfanylpropanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-[[3-[(2-methoxycarbonyl-3-thiophenyl)amino]-3-oxopropyl]thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-[[3-[(2-carbomethoxy-3-thienyl)amino]-3-keto-propyl]thio]propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C18H20N2O6S3 MolecularWeight: 456.5562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCSCCC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCSCCC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O6S3/c1-25-17(23)15-11(3-9-28-15)19-13(21)5-7-27-8-6-14(22)20-12-4-10-29-16(12)18(24)26-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)(H,20,22)