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

Systemtic Name: 2-[(4Z)-1,3-bis(oxidanylidene)-4-(thiophen-3-ylmethylidene)isoquinolin-2-yl]ethanoate Openeye Name: 2-[(4Z)-1,3-dioxo-4-(3-thienylmethylene)-2-isoquinolyl]acetate CAS Name: 2-[(4Z)-1,3-dioxo-4-(3-thiophenylmethylidene)-2-isoquinolinyl]acetate IUPAC Name: 2-[(4Z)-1,3-dioxo-4-(thiophen-3-ylmethylidene)isoquinolin-2-yl]acetate Traditional Name: 2-[(4Z)-1,3-diketo-4-(3-thenylidene)-2-isoquinolyl]acetate Formula: C16H10NO4S- MolecularWeight: 312.3199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CSC=C3)C(=O)N(C2=O)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/C3=CSC=C3)/C(=O)N(C2=O)CC(=O)[O-]

InChI

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