[(3S)-4-(1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-2-oxidanylidene-3-phenyl-3H-pyrrol-5-yl]azanium

Systemtic Name: [(3S)-4-(1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-2-oxidanylidene-3-phenyl-3H-pyrrol-5-yl]azanium Openeye Name: [(3S)-4-(1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-2-oxo-3-phenyl-3H-pyrrol-5-yl]ammonium CAS Name: [(3S)-4-(1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)-2-oxo-3-phenyl-3H-pyrrol-5-yl]ammonium IUPAC Name: [(3S)-4-(1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)-2-oxo-3-phenyl-3H-pyrrol-5-yl]azanium Traditional Name: [(4S)-3-(1,3-benzothiazol-2-yl)-5-keto-1-(2-methoxy-5-methyl-phenyl)-4-phenyl-2-pyrrolin-2-yl]ammonium Formula: C25H22N3O2S+ MolecularWeight: 428.52608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C(C(=C2[NH3+])C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)[C@H](C(=C2[NH3+])C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c1-15-12-13-19(30-2)18(14-15)28-23(26)22(21(25(28)29)16-8-4-3-5-9-16)24-27-17-10-6-7-11-20(17)31-24/h3-14,21H,26H2,1-2H3/p+1/t21-/m0/s1