methyl 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O3S/c1-13-18(22(28)29-4)14(2)23-19(13)21(27)26-11-9-25(10-12-26)15(3)20-24-16-7-5-6-8-17(16)30-20/h5-8,15,23H,9-12H2,1-4H3