4-[[(6S)-3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(6S)-3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6S)-3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6S)-3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6S)-3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6S)-3-carbethoxy-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C17H22NO5S- MolecularWeight: 352.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H23NO5S/c1-3-10-5-6-11-12(9-10)24-16(15(11)17(22)23-4-2)18-13(19)7-8-14(20)21/h10H,3-9H2,1-2H3,(H,18,19)(H,20,21)/p-1/t10-/m0/s1