(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15N3O4S2/c1-10(25-17-19-13-5-3-4-6-15(13)26-17)16(21)18-12-8-7-11(20(22)23)9-14(12)24-2/h3-10H,1-2H3,(H,18,21)/t10-/m1/s1