cyclohexa-1,3-dien-1-yl 2-(6-methyl-2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)ethanoate

Systemtic Name: cyclohexa-1,3-dien-1-yl 2-(6-methyl-2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)ethanoate Openeye Name: cyclohexa-1,3-dien-1-yl 2-(6-methyl-2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetate CAS Name: 2-(6-methyl-2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)acetic acid 1-cyclohexa-1,3-dienyl ester IUPAC Name: cyclohexa-1,3-dien-1-yl 2-(6-methyl-2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetate Traditional Name: 2-(2-keto-6-methyl-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetic acid cyclohexa-1,3-dien-1-yl ester Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(=O)OC3=CC=CCC3)SC4=NC(=O)C=C(N24)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(=O)OC3=CC=CCC3)SC4=NC(=O)C=C(N24)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O3S/c1-16-12-17(14-23(29)30-19-10-6-3-7-11-19)13-21-24(16)27-20(18-8-4-2-5-9-18)15-22(28)26-25(27)31-21/h2-6,8-10,12-13,15H,7,11,14H2,1H3