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

Systemtic Name: (phenylmethyl) 6-(tert-butylcarbamoyl)-3-[3-[(4-carbamimidoylphenyl)carbamoyl]thiophen-2-yl]pyridine-2-carboxylate Openeye Name: benzyl 6-(tert-butylcarbamoyl)-3-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-thienyl]pyridine-2-carboxylate CAS Name: 6-[(tert-butylamino)-oxomethyl]-3-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-thiophenyl]-2-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(tert-butylcarbamoyl)-3-[3-[(4-carbamimidoylphenyl)carbamoyl]thiophen-2-yl]pyridine-2-carboxylate Traditional Name: 3-[3-[(4-amidinophenyl)carbamoyl]-2-thienyl]-6-(tert-butylcarbamoyl)picolinic acid benzyl ester Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H29N5O4S/c1-30(2,3)35-28(37)23-14-13-21(24(34-23)29(38)39-17-18-7-5-4-6-8-18)25-22(15-16-40-25)27(36)33-20-11-9-19(10-12-20)26(31)32/h4-16H,17H2,1-3H3,(H3,31,32)(H,33,36)(H,35,37)