(2S)-2-[2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]-N-propyl-propionamide Formula: C13H18N6O3S MolecularWeight: 338.38542

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CN1C(=O)N(N=N1)C2=CC=CS2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CN1C(=O)N(N=N1)C2=CC=CS2

InChI

InChI=1S/C13H18N6O3S/c1-3-6-14-12(21)9(2)15-10(20)8-18-13(22)19(17-16-18)11-5-4-7-23-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,21)(H,15,20)/t9-/m0/s1