ethyl 1-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)C

InChI

InChI=1S/C23H20ClN3O3S/c1-3-30-22(29)17-12-19(15-7-5-4-6-8-15)27(14(17)2)13-21(28)26-23-25-18-10-9-16(24)11-20(18)31-23/h4-12H,3,13H2,1-2H3,(H,25,26,28)