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

Systemtic Name: ethyl (6S)-2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[(4-methoxy-4-oxo-butyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[(4-methoxy-4-oxobutyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H26N2O4S2/c1-4-24-17(22)15-12-8-7-11(2)10-13(12)26-16(15)20-18(25)19-9-5-6-14(21)23-3/h11H,4-10H2,1-3H3,(H2,19,20,25)/t11-/m0/s1