[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] (5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)NC3CC3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C19H26N2O4S/c1-19(2,3)12-4-7-14-11(8-12)9-15(26-14)17(23)25-10-16(22)21-18(24)20-13-5-6-13/h9,12-13H,4-8,10H2,1-3H3,(H2,20,21,22,24)/t12-/m0/s1