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

Systemtic Name: 5-(2-azanylethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-aminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN)O

InChI

InChI=1S/C18H20N2O3S/c1-23-13-8-6-12(7-9-13)17-16(21)18(22)20(11-10-19)14-4-2-3-5-15(14)24-17/h2-9,16-17,21H,10-11,19H2,1H3