methyl 2-(1-benzothiophen-3-yl)-2-[[4-oxidanylidene-2-(phenylmethyl)pentanethioyl]amino]ethanoate

Systemtic Name: methyl 2-(1-benzothiophen-3-yl)-2-[[4-oxidanylidene-2-(phenylmethyl)pentanethioyl]amino]ethanoate Openeye Name: methyl 2-(benzothiophen-3-yl)-2-[(2-benzyl-4-oxo-pentanethioyl)amino]acetate CAS Name: 2-(1-benzothiophen-3-yl)-2-[[4-oxo-2-(phenylmethyl)-1-sulfanylidenepentyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-(1-benzothiophen-3-yl)-2-[(2-benzyl-4-oxopentanethioyl)amino]acetate Traditional Name: 2-(benzothiophen-3-yl)-2-[(2-benzyl-4-keto-pentanethioyl)amino]acetic acid methyl ester Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC=C1)C(=S)NC(C2=CSC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)CC(CC1=CC=CC=C1)C(=S)NC(C2=CSC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C23H23NO3S2/c1-15(25)12-17(13-16-8-4-3-5-9-16)22(28)24-21(23(26)27-2)19-14-29-20-11-7-6-10-18(19)20/h3-11,14,17,21H,12-13H2,1-2H3,(H,24,28)