ethyl 6-tert-butyl-2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N2O4S2/c1-5-31-24(30)21-15-11-10-14(25(2,3)4)12-18(15)33-23(21)27-20(28)13-19-22(29)26-16-8-6-7-9-17(16)32-19/h6-9,14,19H,5,10-13H2,1-4H3,(H,26,29)(H,27,28)