2-(4-methoxycyclohexa-1,3-dien-1-yl)-3-oxidanyl-5H-benzo[i][1,5]benzothiazepin-4-one

Systemtic Name: 2-(4-methoxycyclohexa-1,3-dien-1-yl)-3-oxidanyl-5H-benzo[i][1,5]benzothiazepin-4-one Openeye Name: 3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-5H-benzo[i][1,5]benzothiazepin-4-one CAS Name: 3-hydroxy-2-(4-methoxy-1-cyclohexa-1,3-dienyl)-5H-benzo[i][1,5]benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-5H-benzo[i][1,5]benzothiazepin-4-one Traditional Name: 3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-5H-benzo[i][1,5]benzothiazepin-4-one Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(CC1)C2=C(C(=O)NC3=C(S2)C4=CC=CC=C4C=C3)O

Isomeric SMILES

COC1=CC=C(CC1)C2=C(C(=O)NC3=C(S2)C4=CC=CC=C4C=C3)O

InChI

InChI=1S/C20H17NO3S/c1-24-14-9-6-13(7-10-14)18-17(22)20(23)21-16-11-8-12-4-2-3-5-15(12)19(16)25-18/h2-6,8-9,11,22H,7,10H2,1H3,(H,21,23)