methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethoxy-2-oxo-ethyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxy-2-oxoethyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

InChI

InChI=1S/C16H22N2O4S2/c1-3-22-12(19)9-17-16(23)18-14-13(15(20)21-2)10-7-5-4-6-8-11(10)24-14/h3-9H2,1-2H3,(H2,17,18,23)