ethyl 2,5-dimethyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC3=C(C=CC=C3S2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC3=C(C=CC=C3S2)C)C

InChI

InChI=1S/C19H21N3O3S/c1-5-25-18(24)14-9-12(3)22(13(14)4)10-16(23)20-19-21-17-11(2)7-6-8-15(17)26-19/h6-9H,5,10H2,1-4H3,(H,20,21,23)