[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-amino-1,3-benzothiazole-6-carboxylate CAS Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-amino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C19H19N3O5S/c1-10(17(23)21-12-5-7-14(25-2)15(9-12)26-3)27-18(24)11-4-6-13-16(8-11)28-19(20)22-13/h4-10H,1-3H3,(H2,20,22)(H,21,23)