ethyl 2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-4-ylidene]methylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-4-ylidene]methylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzyl-1,3-dioxo-4-isoquinolylidene)methylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-dioxo-2-(phenylmethyl)-4-isoquinolinylidene]methylamino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzyl-1,3-dioxoisoquinolin-4-ylidene)methylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-1,3-diketo-4-isoquinolylidene)methylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N2O4S/c1-4-19-17(3)34-24(23(19)27(32)33-5-2)28-15-22-20-13-9-10-14-21(20)25(30)29(26(22)31)16-18-11-7-6-8-12-18/h6-15,28H,4-5,16H2,1-3H3