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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4-(thiophen-3-ylmethylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[1,3-dioxo-4-(3-thienylmethylene)-2-isoquinolyl]propanoate CAS Name: 3-[1,3-dioxo-4-(3-thiophenylmethylidene)-2-isoquinolinyl]propanoate IUPAC Name: 3-[1,3-dioxo-4-(thiophen-3-ylmethylidene)isoquinolin-2-yl]propanoate Traditional Name: 3-[1,3-diketo-4-(3-thenylidene)-2-isoquinolyl]propionate Formula: C17H12NO4S- MolecularWeight: 326.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO4S/c19-15(20)5-7-18-16(21)13-4-2-1-3-12(13)14(17(18)22)9-11-6-8-23-10-11/h1-4,6,8-10H,5,7H2,(H,19,20)/p-1