(2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)S[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-3-25-12-8-9-14-16(10-12)27-18(20-14)26-11(2)17(22)19-13-6-4-5-7-15(13)21(23)24/h4-11H,3H2,1-2H3,(H,19,22)/t11-/m1/s1