N-(1,3-benzothiazol-2-ylmethyl)-4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O2S/c1-9-15(11(3)21)10(2)19-16(9)17(22)18-8-14-20-12-6-4-5-7-13(12)23-14/h4-7,19H,8H2,1-3H3,(H,18,22)