methyl 5-ethanoyl-4-methyl-2-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-ethanoyl-4-methyl-2-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-4-methyl-2-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[2-oxo-2-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]amino]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-4-methyl-2-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-2-[2-keto-2-[(2-pyrrolidino-1,3-benzothiazol-6-yl)amino]ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)C(=O)C

InChI

InChI=1S/C22H24N4O4S/c1-12-19(21(29)30-3)16(24-20(12)13(2)27)11-18(28)23-14-6-7-15-17(10-14)31-22(25-15)26-8-4-5-9-26/h6-7,10,24H,4-5,8-9,11H2,1-3H3,(H,23,28)