2-[[(E)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-6-methyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-6-methyl-benzoic acid Openeye Name: 2-[[(E)-3-(benzothiophen-6-yl)but-2-enoyl]amino]-6-methyl-benzoic acid CAS Name: 2-[[(E)-3-(1-benzothiophen-6-yl)-1-oxobut-2-enyl]amino]-6-methylbenzoic acid IUPAC Name: 2-[[(E)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-6-methylbenzoic acid Traditional Name: 2-[[(E)-3-(benzothiophen-6-yl)but-2-enoyl]amino]-6-methyl-benzoic acid Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C=C(C)C2=CC3=C(C=C2)C=CS3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)/C=C(\C)/C2=CC3=C(C=C2)C=CS3)C(=O)O

InChI

InChI=1S/C20H17NO3S/c1-12-4-3-5-16(19(12)20(23)24)21-18(22)10-13(2)15-7-6-14-8-9-25-17(14)11-15/h3-11H,1-2H3,(H,21,22)(H,23,24)/b13-10+