4-(4-methoxy-3-prop-2-ynoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(4-methoxy-3-prop-2-ynoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-methoxy-3-prop-2-ynoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-methoxy-3-prop-2-ynoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-methoxy-3-prop-2-ynoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-methoxy-3-propargyloxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OCC#C

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OCC#C

InChI

InChI=1S/C16H15N3O3S/c1-3-6-22-13-7-10(4-5-12(13)21-2)15-11-8-17-19-16(11)18-14(20)9-23-15/h1,4-5,7-8,15H,6,9H2,2H3,(H2,17,18,19,20)