ethyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C30H25BrN2O7S MolecularWeight: 637.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)/C=C/C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H25BrN2O7S/c1-3-39-30(35)27-23(21-10-7-11-22(16-21)33(36)37)18-41-29(27)32-26(34)13-12-20-14-24(31)28(25(15-20)38-2)40-17-19-8-5-4-6-9-19/h4-16,18H,3,17H2,1-2H3,(H,32,34)/b13-12+