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

Systemtic Name: methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethoxy-2-oxo-ethyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxy-2-oxoethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H20N2O4S2 MolecularWeight: 356.4603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C15H20N2O4S2/c1-3-21-11(18)8-16-15(22)17-13-12(14(19)20-2)9-6-4-5-7-10(9)23-13/h3-8H2,1-2H3,(H2,16,17,22)