(2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S2/c1-9(16(21)18-10-2-5-13-14(6-10)25-8-24-13)26-17-19-12-4-3-11(20(22)23)7-15(12)27-17/h2-7,9H,8H2,1H3,(H,18,21)/t9-/m1/s1