ethyl 2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methoxy-4-oxo-butyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxy-4-oxobutyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H24N2O4S2/c1-3-23-16(21)14-11-7-4-5-8-12(11)25-15(14)19-17(24)18-10-6-9-13(20)22-2/h3-10H2,1-2H3,(H2,18,19,24)