methyl 2-azanyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrate

Systemtic Name: methyl 2-azanyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrate Openeye Name: methyl 2-amino-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrate CAS Name: 2-amino-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester hydrate IUPAC Name: methyl 2-amino-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrate Traditional Name: 2-amino-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester hydrate Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC2=C(C1)SC(=C2C(=O)OC)N.O

Isomeric SMILES

CC(C)N1CCC2=C(C1)SC(=C2C(=O)OC)N.O

InChI

InChI=1S/C12H18N2O2S.H2O/c1-7(2)14-5-4-8-9(6-14)17-11(13)10(8)12(15)16-3;/h7H,4-6,13H2,1-3H3;1H2