N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-methoxy-ethanamide

Systemtic Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-methoxy-ethanamide Openeye Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-2-methoxy-acetamide CAS Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-2-methoxyacetamide IUPAC Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-methoxyacetamide Traditional Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-2-methoxy-acetamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NN=CC1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)N/N=C/C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c1-25-10-16(22)20-18-9-11-6-7-15(13(8-11)21(23)24)27-17-19-12-4-2-3-5-14(12)26-17/h2-9H,10H2,1H3,(H,20,22)/b18-9+