methyl 2-(3-azanyl-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanoate

Systemtic Name: methyl 2-(3-azanyl-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanoate Openeye Name: methyl 2-(3-amino-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoate CAS Name: 2-(3-amino-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(3-amino-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoate Traditional Name: 2-(3-amino-6-keto-5H-benzo[b][1]benzothiepin-8-yl)propionic acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=C(C=C3)N)C(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=C(C=C3)N)C(=O)OC

InChI

InChI=1S/C18H17NO3S/c1-10(18(21)22-2)11-3-5-17-14(8-11)15(20)9-12-7-13(19)4-6-16(12)23-17/h3-8,10H,9,19H2,1-2H3