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

Systemtic Name: 3,4,5-trimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitrobenzamide Traditional Name: 3,4,5-trimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitro-benzamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-9-5-6-11-13(7-9)28-18(19-11)20-17(22)10-8-12(25-2)15(26-3)16(27-4)14(10)21(23)24/h8-9H,5-7H2,1-4H3,(H,19,20,22)/t9-/m0/s1