methyl 2-[(3-azanylidenebenzo[f]chromen-2-yl)carbonylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-azanylidenebenzo[f]chromen-2-yl)carbonylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-iminobenzo[f]chromene-2-carbonyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-imino-2-benzo[f][1]benzopyranyl)-oxomethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-iminobenzo[f]chromene-2-carbonyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-iminobenzo[f]chromene-2-carbonyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H18N2O4S MolecularWeight: 454.49712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N2O4S/c1-31-26(30)20-14-22(16-8-3-2-4-9-16)33-25(20)28-24(29)19-13-18-17-10-6-5-7-15(17)11-12-21(18)32-23(19)27/h2-14,27H,1H3,(H,28,29)