2-[[2-(3-methylbutylamino)-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[[2-(3-methylbutylamino)-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[2-(isopentylamino)-2-oxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-methylbutylamino)-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[[2-(3-methylbutylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(isoamylamino)-2-keto-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H21N2O4S- MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O4S/c1-9(2)7-8-17-13(19)14(20)18-15-12(16(21)22)10-5-3-4-6-11(10)23-15/h9H,3-8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/p-1