(E)-2-acetamido-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-methylbenzothiophen-2-yl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-methyl-1-benzothiophen-2-yl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-methylbenzothiophen-2-yl)acrylic acid Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C=C(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)/C=C(\C(=O)O)/NC(=O)C

InChI

InChI=1S/C14H13NO3S/c1-8-10-5-3-4-6-12(10)19-13(8)7-11(14(17)18)15-9(2)16/h3-7H,1-2H3,(H,15,16)(H,17,18)/b11-7+