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

Systemtic Name: methyl 2-[(3-azanylidenebenzo[f]chromen-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H17BrN2O4S MolecularWeight: 533.39318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C26H17BrN2O4S/c1-32-26(31)22-20(15-6-9-16(27)10-7-15)13-34-25(22)29-24(30)19-12-18-17-5-3-2-4-14(17)8-11-21(18)33-23(19)28/h2-13,28H,1H3,(H,29,30)