methyl 4-[[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate Openeye Name: methyl 4-[[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate CAS Name: 4-[[(4,5-dimethyl-1,3-benzothiazol-2-yl)hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate Traditional Name: 4-[[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NNC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NNC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C18H17N3O3S/c1-10-4-9-14-15(11(10)2)19-18(25-14)21-20-16(22)12-5-7-13(8-6-12)17(23)24-3/h4-9H,1-3H3,(H,19,21)(H,20,22)