5-(2-azanylethyl)-2-(4-hydroxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-azanylethyl)-2-(4-hydroxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)O)O)CCN

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)O)O)CCN

InChI

InChI=1S/C17H18N2O3S/c18-9-10-19-13-3-1-2-4-14(13)23-16(15(21)17(19)22)11-5-7-12(20)8-6-11/h1-8,15-16,20-21H,9-10,18H2