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

Systemtic Name: 4-[[(4R)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(4R)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(4R)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(4R)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(4R)-3-carbethoxy-4-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C16H20NO5S- MolecularWeight: 338.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1[C@@H](CCC2)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H21NO5S/c1-3-22-16(21)14-13-9(2)5-4-6-10(13)23-15(14)17-11(18)7-8-12(19)20/h9H,3-8H2,1-2H3,(H,17,18)(H,19,20)/p-1/t9-/m1/s1