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

Systemtic Name: methyl 2-(furan-3-yl)-2-[[4-oxidanylidene-2-(phenylmethyl)pentanethioyl]amino]ethanoate Openeye Name: methyl 2-[(2-benzyl-4-oxo-pentanethioyl)amino]-2-(3-furyl)acetate CAS Name: 2-(3-furanyl)-2-[[4-oxo-2-(phenylmethyl)-1-sulfanylidenepentyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-benzyl-4-oxopentanethioyl)amino]-2-(furan-3-yl)acetate Traditional Name: 2-[(2-benzyl-4-keto-pentanethioyl)amino]-2-(3-furyl)acetic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-13(21)10-16(11-14-6-4-3-5-7-14)18(25)20-17(19(22)23-2)15-8-9-24-12-15/h3-9,12,16-17H,10-11H2,1-2H3,(H,20,25)