O4-ethyl O2-propan-2-yl 5-[3-(2-ethoxyphenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[3-(2-ethoxyphenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[3-(2-ethoxyphenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-[3-(2-ethoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-o-phenetylacryloyl)amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC

InChI

InChI=1S/C23H27NO6S/c1-6-28-17-11-9-8-10-16(17)12-13-18(25)24-21-19(22(26)29-7-2)15(5)20(31-21)23(27)30-14(3)4/h8-14H,6-7H2,1-5H3,(H,24,25)