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

Systemtic Name: 2-(4-methoxycyclohexa-1,3-dien-1-yl)-3-oxidanyl-5H-1,5-benzothiazepin-4-one Openeye Name: 3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-5H-1,5-benzothiazepin-4-one CAS Name: 3-hydroxy-2-(4-methoxy-1-cyclohexa-1,3-dienyl)-5H-1,5-benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-5H-1,5-benzothiazepin-4-one Traditional Name: 3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-5H-1,5-benzothiazepin-4-one Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(CC1)C2=C(C(=O)NC3=CC=CC=C3S2)O

Isomeric SMILES

COC1=CC=C(CC1)C2=C(C(=O)NC3=CC=CC=C3S2)O

InChI

InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-6,8,18H,7,9H2,1H3,(H,17,19)