3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-4-(3-thiomorpholin-4-ylpropylamino)benzoic acid hydrochloride

Systemtic Name: 3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-4-(3-thiomorpholin-4-ylpropylamino)benzoic acid hydrochloride Openeye Name: 3-[(3-methoxy-3-oxo-propanoyl)amino]-4-(3-thiomorpholinopropylamino)benzoic acid hydrochloride CAS Name: 3-[(3-methoxy-1,3-dioxopropyl)amino]-4-(3-thiomorpholin-4-ylpropylamino)benzoic acid hydrochloride IUPAC Name: 3-[(3-methoxy-3-oxopropanoyl)amino]-4-(3-thiomorpholin-4-ylpropylamino)benzoic acid hydrochloride Traditional Name: 3-[(3-keto-3-methoxy-propanoyl)amino]-4-(3-thiomorpholinopropylamino)benzoic acid hydrochloride Formula: C18H26ClN3O5S MolecularWeight: 431.93414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)NCCCN2CCSCC2.Cl

Isomeric SMILES

COC(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)NCCCN2CCSCC2.Cl

InChI

InChI=1S/C18H25N3O5S.ClH/c1-26-17(23)12-16(22)20-15-11-13(18(24)25)3-4-14(15)19-5-2-6-21-7-9-27-10-8-21;/h3-4,11,19H,2,5-10,12H2,1H3,(H,20,22)(H,24,25);1H