2-[(3-azanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(3-azanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-(3-amino-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(3-amino-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(3-amino-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(3-amino-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]-2-phenyl-acetic acid Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(C(=O)N2N)SC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(C(=O)N2N)SC4=CC=CC=C43

InChI

InChI=1S/C18H13N3O3S2/c19-21-16(22)15-13(11-8-4-5-9-12(11)25-15)20-18(21)26-14(17(23)24)10-6-2-1-3-7-10/h1-9,14H,19H2,(H,23,24)