ethyl 5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H21N3O4S/c1-4-28-22(27)18-12(2)19(24-13(18)3)20(26)23-11-14-9-10-16(29-14)21-25-15-7-5-6-8-17(15)30-21/h5-10,24H,4,11H2,1-3H3,(H,23,26)