1-[5-azanyl-4-(1,3-benzothiazol-2-yl)-1-methyl-2-oxidanyl-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-azanyl-4-(1,3-benzothiazol-2-yl)-1-methyl-2-oxidanyl-pyrrol-3-yl]ethanone Openeye Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-2-hydroxy-1-methyl-pyrrol-3-yl]ethanone CAS Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-2-hydroxy-1-methyl-3-pyrrolyl]ethanone IUPAC Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-2-hydroxy-1-methylpyrrol-3-yl]ethanone Traditional Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-2-hydroxy-1-methyl-pyrrol-3-yl]ethanone Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(=C1C2=NC3=CC=CC=C3S2)N)C)O

Isomeric SMILES

CC(=O)C1=C(N(C(=C1C2=NC3=CC=CC=C3S2)N)C)O

InChI

InChI=1S/C14H13N3O2S/c1-7(18)10-11(12(15)17(2)14(10)19)13-16-8-5-3-4-6-9(8)20-13/h3-6,19H,15H2,1-2H3