2-[2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O4S2/c1-15-16(2)34-22-21(15)23(30)28(18-11-7-4-8-12-18)25(27-22)33-14-20(29)26-19(24(31)32)13-17-9-5-3-6-10-17/h3-12,19H,13-14H2,1-2H3,(H,26,29)(H,31,32)