methyl 2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methoxy-4-oxo-butyl)carbamothioylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-4-oxobutyl)carbamothioylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O4S3 MolecularWeight: 398.52012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=C(C(=CS1)C2=CC=CS2)C(=O)OC

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=C(C(=CS1)C2=CC=CS2)C(=O)OC

InChI

InChI=1S/C16H18N2O4S3/c1-21-12(19)6-3-7-17-16(23)18-14-13(15(20)22-2)10(9-25-14)11-5-4-8-24-11/h4-5,8-9H,3,6-7H2,1-2H3,(H2,17,18,23)