methyl 2-[2-(4-dimethylaminophenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-dimethylaminophenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(dimethylamino)benzoyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(dimethylamino)benzoyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dimethylamino)benzoyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-14(2)16-8-11-18-19(12-16)29-22(25(18)13-20(26)28-5)23-21(27)15-6-9-17(10-7-15)24(3)4/h6-12,14H,13H2,1-5H3