(phenylmethyl) 6-(tert-butylcarbamoyl)-2-[3-[(4-carbamimidoylphenyl)carbamoyl]thiophen-2-yl]-1H-pyridine-2-carboxylate

Systemtic Name: (phenylmethyl) 6-(tert-butylcarbamoyl)-2-[3-[(4-carbamimidoylphenyl)carbamoyl]thiophen-2-yl]-1H-pyridine-2-carboxylate Openeye Name: benzyl 6-(tert-butylcarbamoyl)-2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-thienyl]-1H-pyridine-2-carboxylate CAS Name: 6-[(tert-butylamino)-oxomethyl]-2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-thiophenyl]-1H-pyridine-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(tert-butylcarbamoyl)-2-[3-[(4-carbamimidoylphenyl)carbamoyl]thiophen-2-yl]-1H-pyridine-2-carboxylate Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-thienyl]-6-(tert-butylcarbamoyl)-1H-pyridine-2-carboxylic acid benzyl ester Formula: C30H31N5O4S MolecularWeight: 557.66324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC(N1)(C2=C(C=CS2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC(N1)(C2=C(C=CS2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H31N5O4S/c1-29(2,3)35-27(37)23-10-7-16-30(34-23,28(38)39-18-19-8-5-4-6-9-19)24-22(15-17-40-24)26(36)33-21-13-11-20(12-14-21)25(31)32/h4-17,34H,18H2,1-3H3,(H3,31,32)(H,33,36)(H,35,37)