[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylfuran-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylfuran-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-1-phenyl-ethyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-phenyl-ethyl] ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(O4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(O4)C

InChI

InChI=1S/C26H27NO6S/c1-4-31-26(30)21-18-12-10-15(2)14-20(18)34-24(21)27-23(28)22(17-8-6-5-7-9-17)33-25(29)19-13-11-16(3)32-19/h5-9,11,13,15,22H,4,10,12,14H2,1-3H3,(H,27,28)