4-[2-[2,3-bis(chloranyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoylamino]benzoic acid

Systemtic Name: 4-[2-[2,3-bis(chloranyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoylamino]benzoic acid Openeye Name: 4-[2-[2,3-dichloro-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoylamino]benzoic acid CAS Name: 4-[[2-[2,3-dichloro-4-[(2-methoxyphenyl)thio]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[2-[2,3-dichloro-4-(2-methoxyphenyl)sulfanylphenyl]prop-2-enoylamino]benzoic acid Traditional Name: 4-[[2-[2,3-dichloro-4-[(2-methoxyphenyl)thio]phenyl]acryloyl]amino]benzoic acid Formula: C23H17Cl2NO4S MolecularWeight: 474.35638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=C(C(=C(C=C2)C(=C)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1SC2=C(C(=C(C=C2)C(=C)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C23H17Cl2NO4S/c1-13(22(27)26-15-9-7-14(8-10-15)23(28)29)16-11-12-19(21(25)20(16)24)31-18-6-4-3-5-17(18)30-2/h3-12H,1H2,2H3,(H,26,27)(H,28,29)