1,3-benzothiazol-2-ylmethyl 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H19N3O3S2 MolecularWeight: 461.55596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H19N3O3S2/c1-15-6-8-16(9-7-15)17-13-31-23-22(17)24(29)27(14-25-23)11-10-21(28)30-12-20-26-18-4-2-3-5-19(18)32-20/h2-9,13-14H,10-12H2,1H3