2-[(4Z)-1,3-bis(oxidanylidene)-4-(thiophen-2-ylmethylidene)isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[(4Z)-1,3-bis(oxidanylidene)-4-(thiophen-2-ylmethylidene)isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[(4Z)-1,3-dioxo-4-(2-thienylmethylene)-2-isoquinolyl]acetic acid CAS Name: 2-[(4Z)-1,3-dioxo-4-(thiophen-2-ylmethylidene)-2-isoquinolinyl]acetic acid IUPAC Name: 2-[(4Z)-1,3-dioxo-4-(thiophen-2-ylmethylidene)isoquinolin-2-yl]acetic acid Traditional Name: 2-[(4Z)-1,3-diketo-4-(2-thenylidene)-2-isoquinolyl]acetic acid Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=CS3)C(=O)N(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/C3=CC=CS3)/C(=O)N(C2=O)CC(=O)O

InChI

InChI=1S/C16H11NO4S/c18-14(19)9-17-15(20)12-6-2-1-5-11(12)13(16(17)21)8-10-4-3-7-22-10/h1-8H,9H2,(H,18,19)/b13-8-