ethyl 2-[(3-azanylidenebenzo[f]chromen-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-azanylidenebenzo[f]chromen-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(3-iminobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3-imino-2-benzo[f][1]benzopyranyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(3-iminobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3-iminobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H19BrN2O4S MolecularWeight: 547.41976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=N

InChI

InChI=1S/C27H19BrN2O4S/c1-2-33-27(32)23-21(16-7-10-17(28)11-8-16)14-35-26(23)30-25(31)20-13-19-18-6-4-3-5-15(18)9-12-22(19)34-24(20)29/h3-14,29H,2H2,1H3,(H,30,31)