(2S)-2-(4-oxidanylidene-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(4-oxidanylidene-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(4-oxo-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-3-yl)-3-phenyl-propanoic acid CAS Name: (2S)-2-(4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3-phenylpropanoic acid IUPAC Name: (2S)-2-(4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3-phenylpropanoic acid Traditional Name: (2S)-2-(4-keto-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-3-yl)-3-phenyl-propionic acid Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H18N2O3S2/c22-17-15-12-8-4-5-9-14(12)26-16(15)20-19(25)21(17)13(18(23)24)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2,(H,20,25)(H,23,24)/t13-/m0/s1