(2R)-2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-4H-1,4-benzothiazin-3-one

Systemtic Name: (2R)-2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-4H-1,4-benzothiazin-3-one Openeye Name: (2R)-2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-4H-1,4-benzothiazin-3-one CAS Name: (2R)-2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2R)-2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-4H-1,4-benzothiazin-3-one Traditional Name: (2R)-2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-4H-1,4-benzothiazin-3-one Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C3C(=O)NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)[C@@H]3C(=O)NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H20N2OS/c1-13-8-10-16(11-9-13)23-14(2)12-17(15(23)3)20-21(24)22-18-6-4-5-7-19(18)25-20/h4-12,20H,1-3H3,(H,22,24)/t20-/m1/s1