(E)-3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]acrylic acid Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3)/C=C/C(=O)O

InChI

InChI=1S/C17H12N2O3S/c20-15(21)9-8-11-4-3-5-12(10-11)19-16(22)13-6-1-2-7-14(13)18-17(19)23/h1-10H,(H,18,23)(H,20,21)/b9-8+