2-[[1,3-bis(oxidanylidene)-2-(1,3-thiazol-2-yl)isoquinolin-4-ylidene]methylamino]benzoate

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(1,3-thiazol-2-yl)isoquinolin-4-ylidene]methylamino]benzoate Openeye Name: 2-[(1,3-dioxo-2-thiazol-2-yl-4-isoquinolylidene)methylamino]benzoate CAS Name: 2-[[1,3-dioxo-2-(2-thiazolyl)-4-isoquinolinylidene]methylamino]benzoate IUPAC Name: 2-[[1,3-dioxo-2-(1,3-thiazol-2-yl)isoquinolin-4-ylidene]methylamino]benzoate Traditional Name: 2-[(1,3-diketo-2-thiazol-2-yl-4-isoquinolylidene)methylamino]benzoate Formula: C20H12N3O4S- MolecularWeight: 390.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=CC=CC=C3C(=O)[O-])C(=O)N(C2=O)C4=NC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=CC=CC=C3C(=O)[O-])C(=O)N(C2=O)C4=NC=CS4

InChI

InChI=1S/C20H13N3O4S/c24-17-13-6-2-1-5-12(13)15(18(25)23(17)20-21-9-10-28-20)11-22-16-8-4-3-7-14(16)19(26)27/h1-11,22H,(H,26,27)/p-1