ethyl 2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-4-ylidene]methylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-4-ylidene]methylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzyl-1,3-dioxo-4-isoquinolylidene)methylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-dioxo-2-(phenylmethyl)-4-isoquinolinylidene]methylamino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzyl-1,3-dioxoisoquinolin-4-ylidene)methylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-1,3-diketo-4-isoquinolylidene)methylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H24N2O4S MolecularWeight: 508.58756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H24N2O4S/c1-2-36-30(35)26-25(21-13-7-4-8-14-21)19-37-27(26)31-17-24-22-15-9-10-16-23(22)28(33)32(29(24)34)18-20-11-5-3-6-12-20/h3-17,19,31H,2,18H2,1H3