3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-oxidanyl-chromen-4-one Openeye Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]chromen-4-one CAS Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]chromen-4-one Traditional Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]chromone Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H19NO4S/c1-29-16-12-10-15(11-13-16)22-14-19(26-18-7-3-5-9-21(18)31-22)23-24(27)17-6-2-4-8-20(17)30-25(23)28/h2-14,22,26,28H,1H3