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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3-chlorophenyl)-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-(3-chlorophenyl)prop-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(3-chlorophenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)C=CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)C=CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H22ClNO5S/c1-5-27-20(25)17-13(4)18(21(26)28-12(2)3)29-19(17)23-16(24)10-9-14-7-6-8-15(22)11-14/h6-12H,5H2,1-4H3,(H,23,24)