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

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-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-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)NC3CC3

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-9-2-5-12-10(6-9)7-13(23-12)15(20)22-8-14(19)18-16(21)17-11-3-4-11/h7,9,11H,2-6,8H2,1H3,(H2,17,18,19,21)/t9-/m0/s1