butyl 2-[[5-[(3-butoxycarbonyl-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[5-[(3-butoxycarbonyl-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[5-[(3-butoxycarbonylbenzothiophen-2-yl)amino]-5-oxo-pentanoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[5-[[3-[butoxy(oxo)methyl]-1-benzothiophen-2-yl]amino]-1,5-dioxopentyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[5-[(3-butoxycarbonyl-1-benzothiophen-2-yl)amino]-5-oxopentanoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-[(3-butoxycarbonylbenzothiophen-2-yl)amino]-5-keto-pentanoyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C31H34N2O6S2 MolecularWeight: 594.74146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCC(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCC(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OCCCC

InChI

InChI=1S/C31H34N2O6S2/c1-3-5-18-38-30(36)26-20-12-7-9-14-22(20)40-28(26)32-24(34)16-11-17-25(35)33-29-27(31(37)39-19-6-4-2)21-13-8-10-15-23(21)41-29/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,34)(H,33,35)