[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O5S/c1-3-30-19-12-15(17(25(27)28)13-18(19)29-2)22(26)24-10-8-14(9-11-24)21-23-16-6-4-5-7-20(16)31-21/h4-7,12-14H,3,8-11H2,1-2H3