methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate CAS Name: 5-tert-butyl-3-[[[2-(1-methyl-2-pyrrolyl)ethylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NC(=O)NCCC2=CC=CN2C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NC(=O)NCCC2=CC=CN2C

InChI

InChI=1S/C18H25N3O3S/c1-18(2,3)14-11-13(15(25-14)16(22)24-5)20-17(23)19-9-8-12-7-6-10-21(12)4/h6-7,10-11H,8-9H2,1-5H3,(H2,19,20,23)