3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-p-phenetyl-propionamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-2-25-14-7-3-12(4-8-14)5-10-17(22)20-18-19-15-9-6-13(21(23)24)11-16(15)26-18/h3-4,6-9,11H,2,5,10H2,1H3,(H,19,20,22)