2-[2-[3-[2-(3,4-dimethoxyphenoxy)ethyl-methyl-amino]propoxy]-5-methoxy-4-nitro-phenyl]-4-methyl-1,4-benzothiazin-3-one; ethanedioic acid

Systemtic Name: 2-[2-[3-[2-(3,4-dimethoxyphenoxy)ethyl-methyl-amino]propoxy]-5-methoxy-4-nitro-phenyl]-4-methyl-1,4-benzothiazin-3-one; ethanedioic acid Openeye Name: 2-[2-[3-[2-(3,4-dimethoxyphenoxy)ethyl-methyl-amino]propoxy]-5-methoxy-4-nitro-phenyl]-4-methyl-1,4-benzothiazin-3-one; oxalic acid CAS Name: 2-[2-[3-[2-(3,4-dimethoxyphenoxy)ethyl-methylamino]propoxy]-5-methoxy-4-nitrophenyl]-4-methyl-1,4-benzothiazin-3-one; oxalic acid IUPAC Name: 2-[2-[3-[2-(3,4-dimethoxyphenoxy)ethyl-methylamino]propoxy]-5-methoxy-4-nitrophenyl]-4-methyl-1,4-benzothiazin-3-one; oxalic acid Traditional Name: 2-[2-[3-[2-(3,4-dimethoxyphenoxy)ethyl-methyl-amino]propoxy]-5-methoxy-4-nitro-phenyl]-4-methyl-1,4-benzothiazin-3-one; oxalic acid Formula: C32H37N3O12S MolecularWeight: 687.71408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC(C1=O)C3=CC(=C(C=C3OCCCN(C)CCOC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C2=CC=CC=C2SC(C1=O)C3=CC(=C(C=C3OCCCN(C)CCOC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H35N3O8S.C2H2O4/c1-31(14-16-40-20-11-12-24(37-3)27(17-20)39-5)13-8-15-41-25-19-23(33(35)36)26(38-4)18-21(25)29-30(34)32(2)22-9-6-7-10-28(22)42-29;3-1(4)2(5)6/h6-7,9-12,17-19,29H,8,13-16H2,1-5H3;(H,3,4)(H,5,6)