1,3-benzothiazol-2-ylmethyl 2-[2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3-benzyl-2,6-dioxo-pyrimidin-1-yl)acetate CAS Name: 2-[2,6-dioxo-3-(phenylmethyl)-1-pyrimidinyl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate Traditional Name: 2-(3-benzyl-2,6-diketo-pyrimidin-1-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=O)N(C2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=O)N(C2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O4S/c25-19-10-11-23(12-15-6-2-1-3-7-15)21(27)24(19)13-20(26)28-14-18-22-16-8-4-5-9-17(16)29-18/h1-11H,12-14H2