methyl 4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate Openeye Name: methyl 4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate CAS Name: 4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate Traditional Name: 4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

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