ethyl N-(3-acetamido-1-methyl-pyrrol-2-yl)carbothioylcarbamate

Systemtic Name: ethyl N-(3-acetamido-1-methyl-pyrrol-2-yl)carbothioylcarbamate Openeye Name: ethyl N-(3-acetamido-1-methyl-pyrrole-2-carbothioyl)carbamate CAS Name: N-[(3-acetamido-1-methyl-2-pyrrolyl)-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-(3-acetamido-1-methylpyrrole-2-carbothioyl)carbamate Traditional Name: N-(3-acetamido-1-methyl-pyrrole-2-carbothioyl)carbamic acid ethyl ester Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)C1=C(C=CN1C)NC(=O)C

Isomeric SMILES

CCOC(=O)NC(=S)C1=C(C=CN1C)NC(=O)C

InChI

InChI=1S/C11H15N3O3S/c1-4-17-11(16)13-10(18)9-8(12-7(2)15)5-6-14(9)3/h5-6H,4H2,1-3H3,(H,12,15)(H,13,16,18)