(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenyl)thio]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)sulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenyl)thio]pyrrolidin-1-ium-2-carboxamide Formula: C19H19N4O3S2+ MolecularWeight: 415.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCC[NH+]3SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@@H]3CCC[NH+]3SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S2/c1-12-8-9-13-17(11-12)27-19(20-13)21-18(24)15-6-4-10-22(15)28-16-7-3-2-5-14(16)23(25)26/h2-3,5,7-9,11,15H,4,6,10H2,1H3,(H,20,21,24)/p+1/t15-/m0/s1