ethyl 2,4-dimethyl-5-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C

InChI

InChI=1S/C21H24N4O4S/c1-4-29-20(27)17-12(2)18(22-13(17)3)19(26)23-14-5-6-15-16(11-14)30-21(24-15)25-7-9-28-10-8-25/h5-6,11,22H,4,7-10H2,1-3H3,(H,23,26)