methyl 3-[3-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]propanoate

Systemtic Name: methyl 3-[3-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[3-[4-(5-carbamimidoylthiazol-2-yl)phenyl]-1-formyl-2-oxo-pyrrolidin-3-yl]propanoate CAS Name: 3-[3-[4-(5-carbamimidoyl-2-thiazolyl)phenyl]-1-formyl-2-oxo-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenyl]-1-formyl-2-oxopyrrolidin-3-yl]propanoate Traditional Name: 3-[3-[4-(5-amidinothiazol-2-yl)phenyl]-1-formyl-2-keto-pyrrolidin-3-yl]propionic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(CCN(C1=O)C=O)C2=CC=C(C=C2)C3=NC=C(S3)C(=N)N

Isomeric SMILES

COC(=O)CCC1(CCN(C1=O)C=O)C2=CC=C(C=C2)C3=NC=C(S3)C(=N)N

InChI

InChI=1S/C19H20N4O4S/c1-27-15(25)6-7-19(8-9-23(11-24)18(19)26)13-4-2-12(3-5-13)17-22-10-14(28-17)16(20)21/h2-5,10-11H,6-9H2,1H3,(H3,20,21)