S-[(5-chloranylpyridin-2-yl)carbamoylamino] 3-methyl-1-benzofuran-2-carbothioate

Systemtic Name: S-[(5-chloranylpyridin-2-yl)carbamoylamino] 3-methyl-1-benzofuran-2-carbothioate Openeye Name: S-[(5-chloro-2-pyridyl)carbamoylamino] 3-methylbenzofuran-2-carbothioate CAS Name: 3-methyl-2-benzofurancarbothioic acid S-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino] ester IUPAC Name: S-[(5-chloropyridin-2-yl)carbamoylamino] 3-methyl-1-benzofuran-2-carbothioate Traditional Name: 3-methylbenzofuran-2-carbothioic acid S-[(5-chloro-2-pyridyl)carbamoylamino] ester Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)SNC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)SNC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O3S/c1-9-11-4-2-3-5-12(11)23-14(9)15(21)24-20-16(22)19-13-7-6-10(17)8-18-13/h2-8H,1H3,(H2,18,19,20,22)