methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[[1-(3-fluorobenzyl)pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H18FN3O3S/c1-26-18(24)17-16(7-9-27-17)22-19(25)21-11-15-6-3-8-23(15)12-13-4-2-5-14(20)10-13/h2-10H,11-12H2,1H3,(H2,21,22,25)