ethyl 3-azanyl-4-(furan-2-ylmethylcarbamoyl)-5-[(4-methylphenyl)amino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(furan-2-ylmethylcarbamoyl)-5-[(4-methylphenyl)amino]thiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(2-furylmethylcarbamoyl)-5-(4-methylanilino)thiophene-2-carboxylate CAS Name: 3-amino-4-[(2-furanylmethylamino)-oxomethyl]-5-(4-methylanilino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(furan-2-ylmethylcarbamoyl)-5-(4-methylanilino)thiophene-2-carboxylate Traditional Name: 3-amino-4-(2-furfurylcarbamoyl)-5-(p-toluidino)thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC2=CC=C(C=C2)C)C(=O)NCC3=CC=CO3)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC2=CC=C(C=C2)C)C(=O)NCC3=CC=CO3)N

InChI

InChI=1S/C20H21N3O4S/c1-3-26-20(25)17-16(21)15(18(24)22-11-14-5-4-10-27-14)19(28-17)23-13-8-6-12(2)7-9-13/h4-10,23H,3,11,21H2,1-2H3,(H,22,24)