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

Systemtic Name: ethyl (6S)-6-tert-butyl-2-[(phenylmethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-(benzylcarbamothioylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-(benzylcarbamothioylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-(benzylthiocarbamoylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C(C)(C)C)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2S2/c1-5-27-21(26)19-17-12-11-16(23(2,3)4)13-18(17)29-20(19)25-22(28)24-14-15-9-7-6-8-10-15/h6-10,16H,5,11-14H2,1-4H3,(H2,24,25,28)/t16-/m0/s1