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

Systemtic Name: ethyl 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N(C)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N(C)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H23N3O3S/c1-5-26-20(25)15-10-13(2)23(14(15)3)12-19(24)22(4)11-18-21-16-8-6-7-9-17(16)27-18/h6-10H,5,11-12H2,1-4H3