azanyl 2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-3-oxidanylidene-2-(thiophen-3-ylmethyl)butanoate

Systemtic Name: azanyl 2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-3-oxidanylidene-2-(thiophen-3-ylmethyl)butanoate Openeye Name: amino 2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]-3-oxo-2-(3-thienylmethyl)butanoate CAS Name: 2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-3-oxo-2-(3-thiophenylmethyl)butanoic acid amino ester IUPAC Name: amino 2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]-3-oxo-2-(thiophen-3-ylmethyl)butanoate Traditional Name: 2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]-3-keto-2-(3-thenyl)butyric acid amino ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CSC=C1)(C2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)ON

Isomeric SMILES

CC(=O)C(CC1=CSC=C1)(C2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)ON

InChI

InChI=1S/C21H24N4O4S/c1-13(26)21(20(28)29-24,11-14-8-10-30-12-14)17-3-2-9-25(19(17)27)16-6-4-15(5-7-16)18(22)23/h4-8,10,12,17H,2-3,9,11,24H2,1H3,(H3,22,23)