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

Systemtic Name: 4-oxidanylidene-4-[[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid Openeye Name: 4-oxo-4-[[3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butanoic acid CAS Name: 4-[[3-[anilino(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-oxo-4-[[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid Traditional Name: 4-keto-4-[[3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butyric acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4S/c22-15(10-11-16(23)24)21-19-17(13-8-4-5-9-14(13)26-19)18(25)20-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,20,25)(H,21,22)(H,23,24)