methyl 2-methyl-4-[(octylamino)sulfanylcarbonylamino]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methyl-4-[(octylamino)sulfanylcarbonylamino]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-methyl-4-[(octylamino)sulfanylcarbonylamino]-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-4-[[[(octylamino)thio]-oxomethyl]amino]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[(octylamino)sulfanylcarbonylamino]-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-4-[[(octylamino)thio]carbonylamino]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H27N3O3S MolecularWeight: 341.46888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNSC(=O)NC1=CNC(=C1C(=O)OC)C

Isomeric SMILES

CCCCCCCCNSC(=O)NC1=CNC(=C1C(=O)OC)C

InChI

InChI=1S/C16H27N3O3S/c1-4-5-6-7-8-9-10-18-23-16(21)19-13-11-17-12(2)14(13)15(20)22-3/h11,17-18H,4-10H2,1-3H3,(H,19,21)