4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-9-3-5-11-14(7-9)24-16(17-11)18-15(20)10-4-6-13(23-2)12(8-10)19(21)22/h4,6,8-9H,3,5,7H2,1-2H3,(H,17,18,20)/t9-/m0/s1