2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-(cyclopropylmethyl)amino]acetic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CCC(=O)NC2=C(C=CS2)C#N)CC(=O)O

Isomeric SMILES

C1CC1CN(CCC(=O)NC2=C(C=CS2)C#N)CC(=O)O

InChI

InChI=1S/C14H17N3O3S/c15-7-11-4-6-21-14(11)16-12(18)3-5-17(9-13(19)20)8-10-1-2-10/h4,6,10H,1-3,5,8-9H2,(H,16,18)(H,19,20)