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

Systemtic Name: 3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Openeye Name: 3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one CAS Name: 3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Traditional Name: 3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]coumarin Formula: C25H19NO3S MolecularWeight: 413.48826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C25H19NO3S/c1-28-18-12-10-16(11-13-18)24-15-21(26-20-7-3-5-9-23(20)30-24)19-14-17-6-2-4-8-22(17)29-25(19)27/h2-14,24H,15H2,1H3