6-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 6-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 6-methyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 6-methyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 6-methyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H17NO3S2/c1-10-4-6-12-13(9-10)23-16(15(12)17(20)21)18-14(19)7-5-11-3-2-8-22-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,18,19)(H,20,21)/b7-5+