ethyl 2-[(2-azanyl-2-oxidanylidene-ethanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-azanyl-2-oxidanylidene-ethanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-amino-2-oxo-ethanethioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-amino-2-oxo-1-sulfanylideneethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-2-oxoethanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-amino-2-keto-thioacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)C(=O)N

InChI

InChI=1S/C13H16N2O3S2/c1-2-18-13(17)9-7-5-3-4-6-8(7)20-12(9)15-11(19)10(14)16/h2-6H2,1H3,(H2,14,16)(H,15,19)