2-[(4-benzamidophenyl)sulfanylmethyl]prop-2-enoic acid

Systemtic Name: 2-[(4-benzamidophenyl)sulfanylmethyl]prop-2-enoic acid Openeye Name: 2-[(4-benzamidophenyl)sulfanylmethyl]prop-2-enoic acid CAS Name: 2-[[(4-benzamidophenyl)thio]methyl]-2-propenoic acid IUPAC Name: 2-[(4-benzamidophenyl)sulfanylmethyl]prop-2-enoic acid Traditional Name: 2-[[(4-benzamidophenyl)thio]methyl]acrylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=C(CSC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H15NO3S/c1-12(17(20)21)11-22-15-9-7-14(8-10-15)18-16(19)13-5-3-2-4-6-13/h2-10H,1,11H2,(H,18,19)(H,20,21)