diethyl 2-acetamido-2-[(3-carbamothioylphenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(3-carbamothioylphenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(3-carbamothioylphenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3-carbamothioylphenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(3-carbamothioylphenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(3-thiocarbamoylbenzyl)malonic acid diethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC(=C1)C(=S)N)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC(=C1)C(=S)N)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H22N2O5S/c1-4-23-15(21)17(19-11(3)20,16(22)24-5-2)10-12-7-6-8-13(9-12)14(18)25/h6-9H,4-5,10H2,1-3H3,(H2,18,25)(H,19,20)