4-[[(6S)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(6S)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(6S)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(6S)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(6S)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(6S)-3-carbomethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyric acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCC(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CC[C@@H](C2)C3=CC=CC=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H21NO5S/c1-26-20(25)18-14-8-7-13(12-5-3-2-4-6-12)11-15(14)27-19(18)21-16(22)9-10-17(23)24/h2-6,13H,7-11H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1