(3R,6R,7aS)-6-azanyl-5-oxidanylidene-6-(phenylmethyl)-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonitrile hydrochloride

Systemtic Name: (3R,6R,7aS)-6-azanyl-5-oxidanylidene-6-(phenylmethyl)-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonitrile hydrochloride Openeye Name: (3R,6R,7aS)-6-amino-6-benzyl-5-oxo-2,3,7,7a-tetrahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride CAS Name: (3R,6R,7aS)-6-amino-5-oxo-6-(phenylmethyl)-2,3,7,7a-tetrahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride IUPAC Name: (3R,6R,7aS)-6-amino-6-benzyl-5-oxo-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonitrile hydrochloride Traditional Name: (3R,6R,7aS)-6-amino-6-benzyl-5-keto-2,3,7,7a-tetrahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride Formula: C14H16ClN3OS MolecularWeight: 309.81434

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C(CS2)C#N)C(=O)C1(CC3=CC=CC=C3)N.Cl

Isomeric SMILES

C1[C@H]2N([C@@H](CS2)C#N)C(=O)[C@]1(CC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C14H15N3OS.ClH/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10;/h1-5,11-12H,6-7,9,16H2;1H/t11-,12+,14-;/m1./s1