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

Systemtic Name: methyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-15(2)17-8-11-19-20(14-17)30-23(26(19)13-12-21(27)29-5)24-22(28)16-6-9-18(10-7-16)25(3)4/h6-11,14-15H,12-13H2,1-5H3