methyl 4-[5-azanyl-9-(butylamino)-3,3-dimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,3-dihydro-1,4-benzothiazine-2-carboxylate

Systemtic Name: methyl 4-[5-azanyl-9-(butylamino)-3,3-dimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,3-dihydro-1,4-benzothiazine-2-carboxylate Openeye Name: methyl 4-[5-amino-9-(butylamino)-6-hydroxy-3,3-dimethyl-9-oxo-nonanoyl]-2,3-dihydro-1,4-benzothiazine-2-carboxylate CAS Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3-dimethyl-1,9-dioxononyl]-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-amino-9-(butylamino)-6-hydroxy-3,3-dimethyl-9-oxononanoyl]-2,3-dihydro-1,4-benzothiazine-2-carboxylate Traditional Name: 4-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3-dimethyl-nonanoyl]-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid methyl ester Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC(C(CC(C)(C)CC(=O)N1CC(SC2=CC=CC=C21)C(=O)OC)N)O

Isomeric SMILES

CCCCNC(=O)CCC(C(CC(C)(C)CC(=O)N1CC(SC2=CC=CC=C21)C(=O)OC)N)O

InChI

InChI=1S/C25H39N3O5S/c1-5-6-13-27-22(30)12-11-19(29)17(26)14-25(2,3)15-23(31)28-16-21(24(32)33-4)34-20-10-8-7-9-18(20)28/h7-10,17,19,21,29H,5-6,11-16,26H2,1-4H3,(H,27,30)