butyl 4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]amino]benzoic acid butyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C21H22N2O3S2/c1-2-3-12-26-20(25)15-8-10-17(11-9-15)22-19(24)14-28-21-23-18-7-5-4-6-16(18)13-27-21/h4-11H,2-3,12-14H2,1H3,(H,22,24)