3-[5-[(E)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-[3-[anilino(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-2-furyl]benzoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O4S/c30-25(29-19-9-2-1-3-10-19)24-21-11-4-5-12-23(21)34-26(24)28-16-20-13-14-22(33-20)17-7-6-8-18(15-17)27(31)32/h1-3,6-10,13-16H,4-5,11-12H2,(H,29,30)(H,31,32)/b28-16+