3-(2-azanylethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid

Systemtic Name: 3-(2-azanylethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Openeye Name: 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid CAS Name: 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid IUPAC Name: 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Traditional Name: 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2SC3=C1C=C(C=C3)OCCN)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2SC3=C1C=C(C=C3)OCCN)C(=O)O

InChI

InChI=1S/C17H17NO3S/c18-8-9-21-12-5-7-15-11(10-12)4-6-13-14(17(19)20)2-1-3-16(13)22-15/h1-3,5,7,10H,4,6,8-9,18H2,(H,19,20)