methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-acetamido-2-hydrocinnamoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-14(25)22-16-9-10-17-18(12-16)29-21(24(17)13-20(27)28-2)23-19(26)11-8-15-6-4-3-5-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,22,25)