2-ethylsulfanyl-5-oxidanylidene-6-(2-phenylethanoylamino)-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

Systemtic Name: 2-ethylsulfanyl-5-oxidanylidene-6-(2-phenylethanoylamino)-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid Openeye Name: 2-ethylsulfanyl-5-oxo-6-[(2-phenylacetyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid CAS Name: 2-(ethylthio)-5-oxo-6-[(1-oxo-2-phenylethyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid IUPAC Name: 2-ethylsulfanyl-5-oxo-6-[(2-phenylacetyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid Traditional Name: 2-(ethylthio)-5-keto-6-[(2-phenylacetyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(S1)CC(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCSC1=C(N2C(S1)CC(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O4S2/c1-2-24-17-14(16(22)23)19-13(25-17)9-11(15(19)21)18-12(20)8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3,(H,18,20)(H,22,23)