ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(1,2-dihydroacenaphthylen-5-yl)-2-[[(3-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-acenaphthen-5-yl-2-(m-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C3C=CC=C4C3=C(CC4)C=C2)NC(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C3C=CC=C4C3=C(CC4)C=C2)NC(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C27H23NO3S/c1-3-31-27(30)24-22(15-32-26(24)28-25(29)19-8-4-6-16(2)14-19)20-13-12-18-11-10-17-7-5-9-21(20)23(17)18/h4-9,12-15H,3,10-11H2,1-2H3,(H,28,29)