ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[[3-(4-propoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

InChI

InChI=1S/C27H29NO4S/c1-5-15-32-22-12-8-20(9-13-22)10-14-24(29)28-26-25(27(30)31-6-2)23(17-33-26)21-11-7-18(3)19(4)16-21/h7-14,16-17H,5-6,15H2,1-4H3,(H,28,29)