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

Systemtic Name: 4-[[(6S)-6-ethyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6S)-6-ethyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6S)-3-[anilino(oxo)methyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6S)-6-ethyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6S)-6-ethyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-2-13-8-9-15-16(12-13)28-21(23-17(24)10-11-18(25)26)19(15)20(27)22-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/p-1/t13-/m0/s1