methyl N-[(E)-[(2Z)-4-chloranyl-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-5-yl]methylideneamino]carbamate

Systemtic Name: methyl N-[(E)-[(2Z)-4-chloranyl-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-5-yl]methylideneamino]carbamate Openeye Name: methyl N-[(E)-[(2Z)-3-allyl-4-chloro-2-(2-thienylsulfonylimino)thiazol-5-yl]methyleneamino]carbamate CAS Name: N-[(E)-[(2Z)-4-chloro-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-5-thiazolyl]methylideneamino]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-[(2Z)-4-chloro-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-5-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[(2Z)-3-allyl-4-chloro-2-(2-thienylsulfonylimino)-4-thiazolin-5-yl]methyleneamino]carbamic acid methyl ester Formula: C13H13ClN4O4S3 MolecularWeight: 420.91472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NN=CC1=C(N(C(=NS(=O)(=O)C2=CC=CS2)S1)CC=C)Cl

Isomeric SMILES

COC(=O)N/N=C/C1=C(N(/C(=N/S(=O)(=O)C2=CC=CS2)/S1)CC=C)Cl

InChI

InChI=1S/C13H13ClN4O4S3/c1-3-6-18-11(14)9(8-15-16-13(19)22-2)24-12(18)17-25(20,21)10-5-4-7-23-10/h3-5,7-8H,1,6H2,2H3,(H,16,19)/b15-8+,17-12-