butan-2-yl 3-[[6-(1,3-dithiol-2-ylidene)-4-methoxy-cyclohexa-1,3-dien-1-yl]amino]-3-oxidanylidene-propanoate

Systemtic Name: butan-2-yl 3-[[6-(1,3-dithiol-2-ylidene)-4-methoxy-cyclohexa-1,3-dien-1-yl]amino]-3-oxidanylidene-propanoate Openeye Name: sec-butyl 3-[[6-(1,3-dithiol-2-ylidene)-4-methoxy-cyclohexa-1,3-dien-1-yl]amino]-3-oxo-propanoate CAS Name: 3-[[6-(1,3-dithiol-2-ylidene)-4-methoxy-1-cyclohexa-1,3-dienyl]amino]-3-oxopropanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-[[6-(1,3-dithiol-2-ylidene)-4-methoxycyclohexa-1,3-dien-1-yl]amino]-3-oxopropanoate Traditional Name: 3-[[6-(1,3-dithiol-2-ylidene)-4-methoxy-cyclohexa-1,3-dien-1-yl]amino]-3-keto-propionic acid sec-butyl ester Formula: C17H21NO4S2 MolecularWeight: 367.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC(=O)NC1=CC=C(CC1=C2SC=CS2)OC

Isomeric SMILES

CCC(C)OC(=O)CC(=O)NC1=CC=C(CC1=C2SC=CS2)OC

InChI

InChI=1S/C17H21NO4S2/c1-4-11(2)22-16(20)10-15(19)18-14-6-5-12(21-3)9-13(14)17-23-7-8-24-17/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)