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

Systemtic Name: (E)-4-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-carbomethoxy-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-but-2-enoic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H19NO5S/c1-3-9-4-5-10-11(8-9)23-15(14(10)16(21)22-2)17-12(18)6-7-13(19)20/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)(H,19,20)/b7-6+