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

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxyphenyl)prop-2-enoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxyphenyl)acryloyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H29NO4S MolecularWeight: 511.63126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H29NO4S/c1-4-35-31(34)29-27(25-14-10-21(2)22(3)18-25)20-37-30(29)32-28(33)17-13-23-11-15-26(16-12-23)36-19-24-8-6-5-7-9-24/h5-18,20H,4,19H2,1-3H3,(H,32,33)