4-[[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(4-ethylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-[(4-ethylphenyl)carbamoyl]-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:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-2-13-7-9-14(10-8-13)22-20(27)19-15-5-3-4-6-16(15)28-21(19)23-17(24)11-12-18(25)26/h7-10H,2-6,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/p-1