(E)-4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-but-2-enoic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H17NO5S/c1-8-3-4-9-10(7-8)22-14(13(9)15(20)21-2)16-11(17)5-6-12(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)/b6-5+