(2S)-N-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-p-phenetyl-propionamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-3-25-14-7-4-12(5-8-14)19-17(22)11(2)26-18-20-15-9-6-13(21(23)24)10-16(15)27-18/h4-11H,3H2,1-2H3,(H,19,22)/t11-/m0/s1